ピーク情報
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ごま いり（白ごま）
pos
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| Peak #8749 MN MID: SE113_S050181_M90 |
| m/z: 255.23191, RT: 102.20, 強度: 108198, ログ強度: 1.65, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 28 |
| DB検索結果: (41 names) 5Z-hexadecenoic acid;14-methyl-6Z-pentadecenoic acid;ethyl 7E-tetradecenoate;16-Hexadecanolide;14-methyl-9E-pentadecenoic acid;ethyl 9E-tetradecenoate;5-Dodecyldihydro-2(3H)-furanone;10-hexadecenoic a... |
| DBごとのヒット数: ALL 41 KG 2 KN 5 HM 3 LM 31 |
| FlavonoidSearch最大スコア MS2: 0.286, MS3: - |
DB検索結果
ppm
| 組成式 | 分子量 | 誤差(Δppm） | 候補化合物名（代表で最短名を記載） | 化合物ID |
|---|---|---|---|---|
| C16H30O2 | 254.22458 | 0.217 | (Z)-5-Hexadecenoic acid | HMDB: HMDB0032638 LipidMAPS: LMFA01030854, LMFA01031290 |
| C16H30O2 | 254.22458 | 0.217 | (Z)-14-Methyl-6-pentadecenoic acid | HMDB: HMDB0041422 LipidMAPS: LMFA01020440 |
| C16H30O2 | 254.22458 | 0.217 | ethyl 7E-tetradecenoate | LipidMAPS: LMFA07010491 |
| C16H30O2 | 254.22458 | 0.217 | Dihydroambrettolide | KNApSAcK: C00054115 LipidMAPS: LMFA07040054 |
| C16H30O2 | 254.22458 | 0.217 | 14-methyl-9E-pentadecenoic acid | LipidMAPS: LMFA01031198 |
| C16H30O2 | 254.22458 | 0.217 | ethyl 9E-tetradecenoate | LipidMAPS: LMFA07010492, LMFA07010494 |
| C16H30O2 | 254.22458 | 0.217 | 5-Dodecyldihydro-2(3H)-furanone | HMDB: HMDB0031145 |
| C16H30O2 | 254.22458 | 0.217 | 10Z-hexadecenoic acid | LipidMAPS: LMFA01030058, LMFA01030260 |
| C16H30O2 | 254.22458 | 0.217 | 8E-Tetradecenyl acetate | LipidMAPS: LMFA07010291, LMFA07010315 |
| C16H30O2 | 254.22458 | 0.217 | 11E-Tetradecenyl acetate | LipidMAPS: LMFA07010285, LMFA07010309 |
| C16H30O2 | 254.22458 | 0.217 | 5-Hexadecanolide | LipidMAPS: LMFA07040055 |
| C16H30O2 | 254.22458 | 0.217 | 12E-Tetradecenyl acetate | LipidMAPS: LMFA07010286, LMFA07010310 |
| C16H30O2 | 254.22458 | 0.217 | 4Z-hexadecenoic acid | LipidMAPS: LMFA01030894, LMFA01031291 |
| C16H30O2 | 254.22458 | 0.217 | 11-Hexadecenoic acid | HMDB: HMDB0037647 KNApSAcK: C00052540 LipidMAPS: LMFA01030261, LMFA01030262 |
| C16H30O2 | 254.22458 | 0.217 | (Z)-13-Hexadecenoic acid | HMDB: HMDB0035877 LipidMAPS: LMFA01030263, LMFA01030264 |
| C16H30O2 | 254.22458 | 0.217 | (9Z)-Hexadecenoic acid | HMDB: HMDB0003229, HMDB0012328, HMDB0247596 KEGG: C08362 KNApSAcK: C00001234, C00029354, C00052377, C00053310 LipidMAPS: LMFA01030056, LMFA01030057 |
| C16H30O2 | 254.22458 | 0.217 | 15-Hexadecenoic acid | HMDB: HMDB0244666 |
| C16H30O2 | 254.22458 | 0.217 | Citronellyl hexanoate | HMDB: HMDB0038958 LipidMAPS: LMFA07010816 |
| C16H30O2 | 254.22458 | 0.217 | Hexadec-8-enoic acid | KNApSAcK: C00053309 LipidMAPS: LMFA01031081, LMFA01031190 |
| C16H30O2 | 254.22458 | 0.217 | 13-methyl-4-pentadecenoic acid | LipidMAPS: LMFA01030893 |
| C16H30O2 | 254.22458 | 0.217 | 6E-Tetradecenyl acetate | LipidMAPS: LMFA07010289, LMFA07010313 |
| C16H30O2 | 254.22458 | 0.217 | 9E-Tetradecenyl acetate | LipidMAPS: LMFA07010293, LMFA07010316 |
| C16H30O2 | 254.22458 | 0.217 | Vittatalactone | KNApSAcK: C00043115 LipidMAPS: LMFA07040032 |
| C16H30O2 | 254.22458 | 0.217 | 6,7-methylene-pentadecanoic acid | LipidMAPS: LMFA01140044 |
| C16H30O2 | 254.22458 | 0.217 | 2,4-dimethyl-2E-tetradecenoic acid | LipidMAPS: LMFA01020133 |
| C16H30O2 | 254.22458 | 0.217 | 14Z-hexadecenoic acid | LipidMAPS: LMFA01031288, LMFA01031289 |
| C16H30O2 | 254.22458 | 0.217 | Dodecyl methacrylate | HMDB: HMDB0251570 |
| C16H30O2 | 254.22458 | 0.217 | 6-isopentyl-9-methyl-5-decenoic acid | LipidMAPS: LMFA01020142 |
| C16H30O2 | 254.22458 | 0.217 | 7E-Tetradecenyl acetate | LipidMAPS: LMFA07010290, LMFA07010314 |
| C16H30O2 | 254.22458 | 0.217 | (E)-3-Hexadecenoic acid | HMDB: HMDB0033791 LipidMAPS: LMFA01030266 |
| C16H30O2 | 254.22458 | 0.217 | (Z)-7-Dodecenyl butyrate | LipidMAPS: LMFA07010537 |
| C16H30O2 | 254.22458 | 0.217 | Trans-Hexa-dec-2-enoic acid | HMDB: HMDB0010735 LipidMAPS: LMFA01030054, LMFA01030265 |
| C16H30O2 | 254.22458 | 0.217 | 15-Hexadecanolide | HMDB: HMDB0031711 LipidMAPS: LMFA07040052 |
| C16H30O2 | 254.22458 | 0.217 | Sapienic acid | HMDB: HMDB0031053, HMDB0257483 KEGG: C21942 LipidMAPS: LMFA01030267, LMFA01031082 |
| C16H30O2 | 254.22458 | 0.217 | omega-Cycloheptanenonanoic acid | KNApSAcK: C00000350 LipidMAPS: LMFA01140096 |
| C16H30O2 | 254.22458 | 0.217 | 5E-Tetradecenyl acetate | LipidMAPS: LMFA07010288, LMFA07010312 |
| C16H30O2 | 254.22458 | 0.217 | 10E-Tetradecenyl acetate | LipidMAPS: LMFA07010283, LMFA07010307 |
| C16H30O2 | 254.22458 | 0.217 | 2-hexyl-2-decenoic acid | LipidMAPS: LMFA01020141 |
| C16H30O2 | 254.22458 | 0.217 | dodecyl 2E-butenoate | LipidMAPS: LMFA07010515 |
| C16H30O2 | 254.22458 | 0.217 | Hypogeic acid | HMDB: HMDB0002186 LipidMAPS: LMFA01030055, LMFA01030808 |
| C16H30O2 | 254.22458 | 0.217 | 3E-Tetradecenyl acetate | LipidMAPS: LMFA07010287, LMFA07010311 |
| C16H30O2 | 254.22458 | 0.217 | 14-methyl-4-pentadecenoic acid | LipidMAPS: LMFA01020140 |
| C16H30O2 | 254.22458 | 0.217 | 12Z-hexadecenoic acid | LipidMAPS: LMFA01031280, LMFA01031281 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 255.23169 |
| Splash: splash10-000i-0190000000-bbb7579d58f55a357a93 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 237.13 | 158294 | 18 | 1000 |
| 219.16 | 39438 | 36 | 249 |
| 171.00 | 13120 | 84 | 82 |
| 185.12 | 11862 | 70 | 74 |
| 199.08 | 9096 | 56 | 57 |
| 157.04 | 8844 | 98 | 55 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.286 | [Isoflavone]-A(2OH)-B(none) | Isoflavone | 5,7-Dihydroxyisoflavone |
| 0.286 | [Isoflavone]-A(1OH)-B(1OH) | Isoflavone | Daidzein |
| 0.286 | [Isoflavone]-A(1OH)-B(1OH) | Isoflavone | 8,4'-Dihydroxyisoflavone |
| 0.278 | [Flavonol]-A(1OH)-B(none) | Flavonol | 3,7-Dihydroxyflavone |
| 0.214 | [Flavone]-A(1OH)-B(1OH) | Flavone | 7,2'-Dihydroxyflavone |
| 0.214 | [Flavone]-A(1OH)-B(1OH) | Flavone | 7,4'-Dihydroxyflavone |
| 0.214 | [Flavone]-A(1OH)-B(1OH) | Flavone | 5,2'-Dihydroxyflavone |
| 0.214 | [Flavone]-A(1OH)-B(1OH) | Flavone | 8,2'-Dihydroxyflavone |
| 0.214 | [Flavone]-A(2OH)-B(none) | Flavone | Primetin |
| 0.214 | [Flavone]-A(2OH)-B(none) | Flavone | Chrysin |
| 0.214 | [Flavone]-A(none)-B(2OH) | Flavone | 2',5'-Dihydroxyflavone |
| 0.214 | [Flavone]-A(none)-B(2OH) | Flavone | 3',4'-Dihydroxyflavone |
| 0.214 | [Flavanone]-A(1OMe)-B(none) | Flavanone | 7-Methoxyflavanone |
| 0.063 | [Chalcone]-A(1OH, 1OMe)-B(none) | Chalcone | 4'-Hydroxy-2'-methoxychalcone |
| 0.000 | [Aurone]-A(1OH)-B(1OH) | Aurone | Hispidol |
| 0.000 | [3-DehydroxyAnthocyanidin]-A(2OH)-B(1OH) | 3-DehydroxyAnthocyanidin | Apigeninidin |
| 0.000 | [Pterocarpene]-A(1OH)-B(1OH) | Pterocarpene | Anhydroglycinol |
| 0.000 | [3-substituted 2-Phenylbenzofuran (3-Methyl)]-A(1OH, 1OMe)-B(none) | 3-substituted 2-Phenylbenzofuran | Parvifuran |
| 0.000 | [4-phenylcoumarin]-A(2OH)-B(none) | 4-phenylcoumarin | Nordalbergin |
| 0.000 | [4-phenylcoumarin]-A(2OH)-B(none) | 4-phenylcoumarin | Serratin |
| 0.000 | [UBR-type derivative / [2,5]-Benzoquinonyl-type Dalbergiquinol]-A(1OMe)-B(none) | UBR-type derivative / [2,5]-Benzoquinonyl-type Dalbergiquinol | 4-Methoxydalbergione |
| 0.000 | [Neoflavene]-A(1OH, 1OMe)-B(none) | Neoflavene | Dalbergichromene |
| Level: 3, プリカーサーm/z: 237.13145 |
| Splash: splash10-014i-0290000000-ea5213a9caf58b229c9c |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 219.15 | 47824 | 18 | 1000 |
| 149.17 | 5497 | 88 | 114 |
| 163.09 | 3436 | 74 | 71 |
| 135.08 | 2522 | 102 | 52 |
FlavonoidSearch結果
ヒットなし
| Level: 3, プリカーサーm/z: 219.15923 |
| Splash: splash10-06y2-0900000000-b1fafc7c97de0a597216 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 149.00 | 3449 | 70 | 1000 |
| 163.09 | 2443 | 56 | 708 |
| 135.03 | 1920 | 84 | 556 |
| 120.97 | 1743 | 98 | 505 |
| 177.18 | 1576 | 42 | 456 |
| 108.95 | 1354 | 110 | 392 |
| 123.12 | 1278 | 96 | 370 |
| 137.06 | 678 | 82 | 196 |
| 107.00 | 414 | 112 | 120 |
| 80.95 | 389 | 138 | 112 |
| 191.23 | 370 | 28 | 107 |
| 95.22 | 338 | 124 | 97 |
| 97.06 | 221 | 122 | 64 |
| 124.98 | 213 | 94 | 61 |
FlavonoidSearch結果
ヒットなし